3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)COC3=CC=CC=C3

InChI

InChI=1S/C17H16BrN3OS/c1-21-16(11-22-15-8-3-2-4-9-15)19-20-17(21)23-12-13-6-5-7-14(18)10-13/h2-10H,11-12H2,1H3